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CAS No.: | 146984-27-2 |
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Name: | 2H-1,2,3-Triazole-2-ethanol |
Molecular Structure: | |
Formula: | C4H7N3O |
Molecular Weight: | 113.12 |
Synonyms: | 2H-1,2,3-TRIAZOLE-2-ETHANOL |
Density: | 1.32 g/cm3 |
Boiling Point: | 270.981 °C at 760 mmHg |
Flash Point: | 117.685 °C |
PSA: | 50.94000 |
LogP: | -0.72960 |
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The 2H-1,2,3-Triazole-2-ethanol has CAS registry number 146984-27-2. This chemical's molecular formula is C4H7N3O and molecular weight is 113.12. What's more, its systematic name is 2-(2H-1,2,3-Triazol-2-yl)ethanol.
Physical properties about the 2H-1,2,3-Triazole-2-ethanol are: (1)ACD/LogP: -0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8; (7)ACD/KOC (pH 7.4): 8; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 50.94 Å2; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 29.342 cm3; (14)Molar Volume: 85.553 cm3; (15)Surface Tension: 55.293 dyne/cm; (16)Density: 1.322 g/cm3; (17)Flash Point: 117.685 °C; (18)Enthalpy of Vaporization: 53.789 kJ/mol; (19)Boiling Point: 270.981 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCCn1nccn1
(2) InChI: InChI=1/C4H7N3O/c8-4-3-7-5-1-2-6-7/h1-2,8H,3-4H2
(3) InChIKey: ZZZSPTGFCIPYFO-UHFFFAOYAD